CID 581530

1,4-difluoro-2,3-dimethylbenzene

Structural Information

Molecular Formula
C8H8F2
SMILES
CC1=C(C=CC(=C1C)F)F
InChI
InChI=1S/C8H8F2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3
InChIKey
XPAQTSZVOILIGO-UHFFFAOYSA-N
Compound name
1,4-difluoro-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

142.0594 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06668 121.9
[M+Na]+ 165.04862 132.8
[M-H]- 141.05212 124.1
[M+NH4]+ 160.09322 144.5
[M+K]+ 181.02256 130.5
[M+H-H2O]+ 125.05666 115.7
[M+HCOO]- 187.05760 144.8
[M+CH3COO]- 201.07325 177.3
[M+Na-2H]- 163.03407 127.8
[M]+ 142.05885 120.4
[M]- 142.05995 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe